› 1bkm

X-ray diffraction
2Å resolution

COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX

Released:
DOI: 10.2210/pdb1bkm/pdb
PDB entry 1bkm coloured by chain, front view.
PDB entry 1bkm coloured by chain, side view.
PDB entry 1bkm coloured by chain, top view.
Source organism: Rous sarcoma virus
Primary publication:
Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain
Holland DR, Lunney EA, Plummer MS, Mueller WT, Mcconnell P, Pavlovsky A, Para KS, Shahripour A, Humblet C, Sawyer TK, Rubin JR
J. Am. Chem. Soc. 119 12471- (1997)

Function and Biology Details

Reaction catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132659 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tyrosine-protein kinase transforming protein Src Chain: A
Molecule details ›
Chain: A
Length: 113 amino acids
Theoretical weight: 12.82 KDa
Source organism: Rous sarcoma virus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00524 (Residues: 144-249; Coverage: 20%)
Gene name: V-SRC
Sequence domains: SH2 domain
Structure domains: SH2 domain

Ligands and Environments

1 bound ligand:
Ligand 1C5 1 x 1C5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 30.2Å b: 46.9Å c: 74.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.275
Expression system: Escherichia coli

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Citations

2 mentions without citation

Binding modes of peptidomimetics designed to inhibit STAT3.
Dhanik et al. (2012)
1 more